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Compound Detail

CHEMBL25922

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COc1nc2nc(O)c(O)nc2cc1[N+](=O)[O-]

Basic Information

ChEMBL ID CHEMBL25922
Phase Preclinical
Structure Type MOL
InChI Key BHKMWAQSROIMFF-UHFFFAOYSA-N
2
Targets
2
Activities
1
Assay Types
0
PK Parameters
2
Publications
0
Known Names

Molecular Properties

238.2
MW (Da)
0.35
ALogP
8
HBA
2
HBD
131.5
PSA (Ų)
0.57
QED
0
Ro5 Violations
2
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C8H6N4O5
MW 238.16
Aromatic Rings 2
Heavy Atoms 17
NP-Likeness -0.72

Activity Summary

Ki 2 meas. best 6.43

Target Activity Profile

Target Type Best pChEMBL Mean pChEMBL Best (nM) # Data
Glutamate receptor ionotropic, NMDA 1
CHEMBL330
Ki 6.43 6.43 370.0 1
Glutamate receptor ionotropic, AMPA
CHEMBL2093871
Ki 6.16 6.16 700.0 1

Activity Data Samples

Top measurements by pChEMBL value

Literature References

PubMed DOI Target Context # Activities
8632440 10.1021/jm950304+ Glutamate receptor ionotropic, AMPA 1
8632440 10.1021/jm950304+ Glutamate receptor ionotropic, NMDA 1 1

Data from ChEMBL 36 via Core Engine